methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate

C11H15ClO4 — CID 175008491

IUPACmethyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate
SMILESC=CC(=O)OC(CCl)CC=C(C)C(=O)OC
InChIInChI=1S/C11H15ClO4/c1-4-10(13)16-9(7-12)6-5-8(2)11(14)15-3/h4-5,9H,1,6-7H2,2-3H3
InChIKeyHPFPAZWENJATAQ-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.83
Rot. Bonds6

About methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate

methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate (PubChem CID 175008491) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate.

Molecular Properties

Compound Namemethyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate
PubChem CID175008491
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Namemethyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate
SMILESC=CC(=O)OC(CCl)CC=C(C)C(=O)OC
InChIInChI=1S/C11H15ClO4/c1-4-10(13)16-9(7-12)6-5-8(2)11(14)15-3/h4-5,9H,1,6-7H2,2-3H3
InChIKeyHPFPAZWENJATAQ-UHFFFAOYSA-N
XLogP1.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate?
The IUPAC name of methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate (CID 175008491) is methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate.
What is the SMILES notation for methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate?
The canonical SMILES for methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate is C=CC(=O)OC(CCl)CC=C(C)C(=O)OC.
What is the InChIKey of methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate?
The InChIKey is HPFPAZWENJATAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-4-10(13)16-9(7-12)6-5-8(2)11(14)15-3/h4-5,9H,1,6-7H2,2-3H3.
What are the key properties of methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate?
methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate has a molecular weight of 246.69 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-methyl-5-prop-2-enoyloxyhex-2-enoate is sourced from PubChem (CID 175008491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).